2-[2-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)ethyl]-4,4,7-trimethyl-1,3-dihydroisoquinoline

C25H34N2 — CID 146572573

IUPAC2-[2-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)ethyl]-4,4,7-trimethyl-1,3-dihydroisoquinoline
SMILESCc1ccc2c(c1)CN(CCc1cc(C)c3c(c1)CN(C)CC3)CC2(C)C
InChIInChI=1S/C25H34N2/c1-18-6-7-24-22(12-18)16-27(17-25(24,3)4)11-8-20-13-19(2)23-9-10-26(5)15-21(23)14-20/h6-7,12-14H,8-11,15-17H2,1-5H3
InChIKeyWUGURTVWGITJMB-UHFFFAOYSA-N
MW362.56 g/mol
LogP4.63
Rot. Bonds3

About 2-[2-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)ethyl]-4,4,7-trimethyl-1,3-dihydroisoquinoline

2-[2-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)ethyl]-4,4,7-trimethyl-1,3-dihydroisoquinoline (PubChem CID 146572573) has the molecular formula C25H34N2 and a molecular weight of 362.56 g/mol. Its IUPAC name is 2-[2-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)ethyl]-4,4,7-trimethyl-1,3-dihydroisoquinoline.

Molecular Properties

Compound Name2-[2-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)ethyl]-4,4,7-trimethyl-1,3-dihydroisoquinoline
PubChem CID146572573
Molecular FormulaC25H34N2
Molecular Weight362.56 g/mol
Exact Mass362.27
IUPAC Name2-[2-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)ethyl]-4,4,7-trimethyl-1,3-dihydroisoquinoline
SMILESCc1ccc2c(c1)CN(CCc1cc(C)c3c(c1)CN(C)CC3)CC2(C)C
InChIInChI=1S/C25H34N2/c1-18-6-7-24-22(12-18)16-27(17-25(24,3)4)11-8-20-13-19(2)23-9-10-26(5)15-21(23)14-20/h6-7,12-14H,8-11,15-17H2,1-5H3
InChIKeyWUGURTVWGITJMB-UHFFFAOYSA-N
XLogP4.63
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.56
LogP ≤ 54.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)ethyl]-4,4,7-trimethyl-1,3-dihydroisoquinoline?
The IUPAC name of 2-[2-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)ethyl]-4,4,7-trimethyl-1,3-dihydroisoquinoline (CID 146572573) is 2-[2-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)ethyl]-4,4,7-trimethyl-1,3-dihydroisoquinoline.
What is the SMILES notation for 2-[2-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)ethyl]-4,4,7-trimethyl-1,3-dihydroisoquinoline?
The canonical SMILES for 2-[2-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)ethyl]-4,4,7-trimethyl-1,3-dihydroisoquinoline is Cc1ccc2c(c1)CN(CCc1cc(C)c3c(c1)CN(C)CC3)CC2(C)C.
What is the InChIKey of 2-[2-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)ethyl]-4,4,7-trimethyl-1,3-dihydroisoquinoline?
The InChIKey is WUGURTVWGITJMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34N2/c1-18-6-7-24-22(12-18)16-27(17-25(24,3)4)11-8-20-13-19(2)23-9-10-26(5)15-21(23)14-20/h6-7,12-14H,8-11,15-17H2,1-5H3.
What are the key properties of 2-[2-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)ethyl]-4,4,7-trimethyl-1,3-dihydroisoquinoline?
2-[2-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)ethyl]-4,4,7-trimethyl-1,3-dihydroisoquinoline has a molecular weight of 362.56 g/mol, XLogP of 4.63, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)ethyl]-4,4,7-trimethyl-1,3-dihydroisoquinoline is sourced from PubChem (CID 146572573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).